Calcium Cation → HCID 68417577, compound

HRID 309326Notes

Reaction equation

HRID 309326 reaction equation
[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][OH:47].[Ca+2:36].[Cl-:34].[Cl-:35].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([F:24])[cH:9][c:10]([F:23])[c:11]([O:13][c:14]3[n:15][cH:16][c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]3)[cH:12]2)[cH:25][cH:26][cH:27][c:28]1[C:29]1([C:32]#[N:33])[CH2:30][CH2:31]1.[Fe:48].[Na+:38].[OH-:37]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([F:24])[cH:9][c:10]([F:23])[c:11]([O:13][c:14]3[n:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]3)[cH:12]2)[cH:25][cH:26][cH:27][c:28]1[C:29]1([C:32]#[N:33])[CH2:30][CH2:31]1

Participants

9

Reactant 8

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 23925IronHCID 68417567HCID 68417567, compound

Product 1

HCID 68417577HCID 68417577, compound

Sources & evidence

ORD record
ord-0a52d09f4d8442de8ce9eaf202e9a043
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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